3-methyl-2,2-diphenylazirine

C15H13N — CID 10398117

IUPAC3-methyl-2,2-diphenylazirine
SMILESCC1=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13N/c1-12-15(16-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeySJRGHUHGDJUPMQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.40
Rot. Bonds2

About 3-methyl-2,2-diphenylazirine

3-methyl-2,2-diphenylazirine (PubChem CID 10398117) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-2,2-diphenylazirine.

Molecular Properties

Compound Name3-methyl-2,2-diphenylazirine
PubChem CID10398117
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name3-methyl-2,2-diphenylazirine
SMILESCC1=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13N/c1-12-15(16-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeySJRGHUHGDJUPMQ-UHFFFAOYSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1,2-diphenylpropan-2-amine
CID 12321786
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1,2-Diphenylpropan-2-amine
CID 164087
(2R)-1,2-diphenylpropan-2-amine
CID 12321787
2,3-Diphenyl-2H-azirine
CID 140090
2,5-diphenyl-3,4-dihydro-2H-pyrrole
CID 279812
2,2-Dimethyl-3-phenyl-2H-azirene
CID 308215
N-benzyl-1-(4-fluorophenyl)ethanimine
CID 86149422
N-benzyl-1-phenylethanimine
CID 297338
1'-methyl-4'H-spiro[cyclohexane-1,3'-isoquinoline]
CID 3122247
(1-Azido-1-phenylethyl)benzene
CID 2769488
Benzenemethanamine, N-(1-methylethylidene)-
CID 3783166

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,2-diphenylazirine?
The IUPAC name of 3-methyl-2,2-diphenylazirine (CID 10398117) is 3-methyl-2,2-diphenylazirine.
What is the SMILES notation for 3-methyl-2,2-diphenylazirine?
The canonical SMILES for 3-methyl-2,2-diphenylazirine is CC1=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-2,2-diphenylazirine?
The InChIKey is SJRGHUHGDJUPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-12-15(16-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 3-methyl-2,2-diphenylazirine?
3-methyl-2,2-diphenylazirine has a molecular weight of 207.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,2-diphenylazirine is sourced from PubChem (CID 10398117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).